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Volumn 34, Issue 47, 1993, Pages 7591-7594

Asymmetric catalysis of ene-type reaction with fluoral by chiral titanium complex: A semi-empirical and ab-initio analysis of ene reactivity

Author keywords

[No Author keywords available]

Indexed keywords

ORGANOFLUORINE DERIVATIVE;

EID: 0027449158     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4039(00)60408-2     Document Type: Article
Times cited : (50)

References (28)
  • 23
    • 0043118358 scopus 로고
    • Stereoelectronic Rules in Addition Reactions: “Cram's Rule” in Olefinic Systems
    • We carried out molecular orbital calculations on the protonated aldehydes as a model for 2/ Lewis acid complexes. In the transition states, one of the halogen substituents on the α carbon of aldehydes is most likely to occupy the antiperiplanar region relative to the attacking reagent;, J.M. Coxon, JAI Press, Connecticut, U. S. A
    • (1993) Advances in Detailed Reaction Mechanisms , vol.3
    • Mikami1    Shimizu2
  • 24
    • 0023043811 scopus 로고
    • ∗∗; Gaussian 90 on HP/Apollo-Series-700) geometry optimizations were carried out without any additional constraints.
    • (1986) Science , vol.231 , pp. 1108
    • Houk1
  • 27
    • 36148995600 scopus 로고
    • MNDO and PM3 atomic charges were evaluated from the positive core charges and the numbers of valence electrons. The natural bond orbital (NBO) analysis, instead of conventional Mulliken population analysis, was used for evaluating atomic charges in the ab-initio calculations:
    • (1985) J. Chem. Phys. , vol.83 , pp. 735
    • Reed1    Weinstock2    Weinhold3
  • 28
    • 84918759153 scopus 로고    scopus 로고
    • The reduced carbonyl CO bond polarity for fluoral might be rationalized by electron withdrawal from oxygen by fluorine substituents.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.